[2-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)-2-sulfanyl-oxan-2-yl]-3-methyl-phenyl]ethanoylamino] hydrogen sulfate

Systemtic Name: [2-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)-2-sulfanyl-oxan-2-yl]-3-methyl-phenyl]ethanoylamino] hydrogen sulfate Openeye Name: [[2-[3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyl-tetrahydropyran-2-yl]phenyl]acetyl]amino] hydrogen sulfate CAS Name: sulfuric acid [[2-[3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-mercapto-2-oxanyl]phenyl]-1-oxoethyl]amino] ester IUPAC Name: [[2-[3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]phenyl]acetyl]amino] hydrogen sulfate Traditional Name: sulfuric acid [[2-[3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-2-mercapto-6-methylol-tetrahydropyran-2-yl]phenyl]acetyl]amino] ester Formula: C15H21NO10S2 MolecularWeight: 439.45794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC(=O)NOS(=O)(=O)O)C2(C(C(C(C(O2)CO)O)O)O)S

Isomeric SMILES

CC1=C(C(=CC=C1)CC(=O)NOS(=O)(=O)O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)S

InChI

InChI=1S/C15H21NO10S2/c1-7-3-2-4-8(5-10(18)16-26-28(22,23)24)11(7)15(27)14(21)13(20)12(19)9(6-17)25-15/h2-4,9,12-14,17,19-21,27H,5-6H2,1H3,(H,16,18)(H,22,23,24)/t9-,12-,13+,14-,15+/m1/s1